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BDBM50393117 CHEMBL2153440

SMILES: Clc1cccc(c1)-c1ccc(CNC(=O)CCCc2ccc3cccnc3n2)cc1

InChI Key: InChIKey=WQQRCIURTFHROP-UHFFFAOYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50393117   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Succinate receptor 1


(Homo sapiens (Human))
BDBM50393117
PNG
(CHEMBL2153440)
Show SMILES Clc1cccc(c1)-c1ccc(CNC(=O)CCCc2ccc3cccnc3n2)cc1
Show InChI InChI=1S/C25H22ClN3O/c26-22-6-1-4-21(16-22)19-11-9-18(10-12-19)17-28-24(30)8-2-7-23-14-13-20-5-3-15-27-25(20)29-23/h1,3-6,9-16H,2,7-8,17H2,(H,28,30)
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 40n/an/an/an/an/an/a



Advinus Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR91 receptor expressed in CHO-K1 cells co-expressing Galpha and Gqi5 G-protein assessed as inhibition of succinate-ind...


Bioorg Med Chem Lett 21: 3596-602 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.091
BindingDB Entry DOI: 10.7270/Q2BK1DG6
More data for this
Ligand-Target Pair
Succinate receptor 1


(Rattus norvegicus)
BDBM50393117
PNG
(CHEMBL2153440)
Show SMILES Clc1cccc(c1)-c1ccc(CNC(=O)CCCc2ccc3cccnc3n2)cc1
Show InChI InChI=1S/C25H22ClN3O/c26-22-6-1-4-21(16-22)19-11-9-18(10-12-19)17-28-24(30)8-2-7-23-14-13-20-5-3-15-27-25(20)29-23/h1,3-6,9-16H,2,7-8,17H2,(H,28,30)
PDB

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 115n/an/an/an/an/an/a



Advinus Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at rat GPR91 receptor expressed in CHO-K1 cells co-expressing Galpha and Gqi5 G-protein assessed as inhibition of succinate-induc...


Bioorg Med Chem Lett 21: 3596-602 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.091
BindingDB Entry DOI: 10.7270/Q2BK1DG6
More data for this
Ligand-Target Pair
2-oxoglutarate receptor 1


(Homo sapiens (Human))
BDBM50393117
PNG
(CHEMBL2153440)
Show SMILES Clc1cccc(c1)-c1ccc(CNC(=O)CCCc2ccc3cccnc3n2)cc1
Show InChI InChI=1S/C25H22ClN3O/c26-22-6-1-4-21(16-22)19-11-9-18(10-12-19)17-28-24(30)8-2-7-23-14-13-20-5-3-15-27-25(20)29-23/h1,3-6,9-16H,2,7-8,17H2,(H,28,30)
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.00E+3n/an/an/an/an/an/a



Advinus Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR99 receptor expressed in CHO-K1 cells co-expressing Galpha and Gqi5 G-protein assessed as inhibition of succinate-ind...


Bioorg Med Chem Lett 21: 3596-602 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.091
BindingDB Entry DOI: 10.7270/Q2BK1DG6
More data for this
Ligand-Target Pair